HRID1553433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID19788106

Ethyl 2-(bromomethyl)-3-nitrobenzoate

C10H10BrNO4

结构：CC1(C)Oc2ccc(S(=O)(=O)C(F)(F)F)cc2C(N)C1O

HCID19788119

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Oc2ccc(S(=O)(=O)C(F)(F)F)cc2C(N2Cc3c(cccc3[N+](=O)[O-])C2=O)C1O

HCID19788115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ece5bc9e6224904bfd4648973155910
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:29][CH2:30][c:31]1[c:32]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:38][cH:39][cH:40][c:41]1[N+:42](=[O:43])[O-:44].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[ClH:45].[NH2:1][CH:2]1[CH:3]([OH:21])[C:4]([CH3:19])([CH3:20])[O:5][c:6]2[c:7]1[cH:8][c:9]([S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[cH:10][cH:11]2>>[N:1]1([CH:2]2[CH:3]([OH:21])[C:4]([CH3:19])([CH3:20])[O:5][c:6]3[c:7]2[cH:8][c:9]([S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[cH:10][cH:11]3)[CH2:30][c:31]2[c:32]([cH:38][cH:39][cH:40][c:41]2[N+:42](=[O:43])[O-:44])[C:33]1=[O:34]